2-氨基-1,3-噻唑-4-乙酸乙酯盐酸盐 | 76629-17-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-氨基-1,3-噻唑-4-乙酸乙酯盐酸盐
• 英文名称: ethyl 2-aminothiazol-4-ylacetate hydrochloride
• 英文别名: Ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate hydrochloride；ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate;hydrochloride
• CAS: 76629-17-9
• 化学式: C₇H₁₀N₂O₂S*ClH
• 分子量: 222.696
• InChiKey: LDNSAJGXLKYTQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.75
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  94.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2934100090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate, HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate, HCl
CAS number: 76629-17-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H10N2O2S.ClH
Molecular weight: 222.7

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氨基-1,3-噻唑-4-乙酸乙酯盐酸盐 在 盐酸 、 溶剂黄146 作用下， 以 吡啶 、 水 为溶剂， 反应 1.0h， 生成 4-Thiazoleacetic acid, 2-(1-hydantoyl)-, ethyl ester
  参考文献：
  名称：

  Zaidi; Satsangi; Nasir, Pharmazie, 1980, vol. 35, # 12, p. 755 - 756

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 、 硫脲 在 四丁基溴化铵 作用下， 以 水 为溶剂， 生成 2-氨基-1,3-噻唑-4-乙酸乙酯盐酸盐
  参考文献：
  名称：

  一种微通道反应器连续制备（Z）-2-（2-氨基-4噻唑）乙酸的方法

  摘要：

  本发明涉及药物合成方法领域，公开了一种微通道反应器连续制备（Z）‑2‑（2‑氨基‑4噻唑）乙酸的方法，该方法包括在微通道反应器中连续进行的环合反应和水解反应，包括如下步骤：将硫脲的水溶液、4‑氯乙酰乙酸乙酯分别输送至第一节微通道反应器中进行反应；在第二节联微通道反应器中，将上述制备反应后的物料与氢氧化钠水溶液分别进入第二节微通道反应器中进行反应，反应后的物料进入中转反应釜，在中转釜中用盐酸溶液进行淬灭反应，析晶后依次经过滤、洗涤后得到化合物（Z）‑2‑（2‑氨基‑4噻唑）‑乙酸。本发明的反应时间短，反应条件要求较低，并能够连续生产，操作简单、安全，产物转化率和纯度高。

  公开号：

  CN114853691A

文献信息

• 一锅法制备头孢替安中间体2-氨基噻唑-4-乙酸的方法
  申请人：江苏恒沛药物科技有限公司

  公开号：CN111533710B

  公开（公告）日：2022-04-22

  本发明公开了一锅法制备头孢替安中间体2‑氨基噻唑‑4‑乙酸的方法；其技术要点为：步骤1)：1）以水为溶剂，在合适的温度，合适的摩尔比下，用硫脲和4‑氯乙酰乙酸乙酯进行关环，生成2‑氨基噻唑‑4‑乙酸乙酯；反应结束后，反应液直接进行下一步反应；2）在合适的温度下，向上述反应液中，加一定量的碱进行水解反应；3）上述反应结束后，在合适的温度下，向反应液中，加一定量的酸调节PH，析出产品。
• 一种微通道反应器连续制备（Z）-2-（2-氨基-4噻唑）乙酸的方法
  申请人：浙江普洛得邦制药有限公司

  公开号：CN114853691A

  公开（公告）日：2022-08-05

  本发明涉及药物合成方法领域，公开了一种微通道反应器连续制备（Z）‑2‑（2‑氨基‑4噻唑）乙酸的方法，该方法包括在微通道反应器中连续进行的环合反应和水解反应，包括如下步骤：将硫脲的水溶液、4‑氯乙酰乙酸乙酯分别输送至第一节微通道反应器中进行反应；在第二节联微通道反应器中，将上述制备反应后的物料与氢氧化钠水溶液分别进入第二节微通道反应器中进行反应，反应后的物料进入中转反应釜，在中转釜中用盐酸溶液进行淬灭反应，析晶后依次经过滤、洗涤后得到化合物（Z）‑2‑（2‑氨基‑4噻唑）‑乙酸。本发明的反应时间短，反应条件要求较低，并能够连续生产，操作简单、安全，产物转化率和纯度高。
• Synthesis and antitrypanosomal evaluation of some thiazole-containing amino acids and peptides
  作者：I Van Bogaert、A Haemers、W Bollaert、N Van Meirvenne、R Brun、K Smith、AH Fairlamb

  DOI：10.1016/0223-5234(93)90125-x

  日期：1993.1

  Several amino acids and peptides containing thiazole and thiazolidine residues were prepared. They were tested in vivo and in vitro as possible antitrypanosomal compounds. Some derivatives showed a slight activity. As they are structurally related to glutathione, their inhibitory properties towards glutathionylspermidine synthetase, trypanothione synthetase and trypanothione reductase were determined. No inhibitory activity was found.
• Zaidi; Satsangi; Nasir, Pharmazie, 1980, vol. 35, # 12, p. 755 - 756
  作者：Zaidi、Satsangi、Nasir、Agarwal、Tiwari

  DOI：——

  日期：——
• Hardy, Kenneth D.; Harrington, Frank P.; Stachulski, Andrew V., Journal of the Chemical Society. Perkin transactions I, 1984, # 6, p. 1227 - 1236
  作者：Hardy, Kenneth D.、Harrington, Frank P.、Stachulski, Andrew V.

  DOI：——

  日期：——